SCHEMBL17700337

SCHEMBL17700337

COC(C)(C)CNc1cc(C)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK10 P53779 1/20 0.41
KDM4E B2RXH2 5/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 2/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17700313 0.83 NOS2 (0.56) NOS2KMT2AMEN1POLBNPC1
SCHEMBL17700075 0.80 NOS2 (0.53) NOS2KMT2AMEN1POLBNPC1
SCHEMBL17700067 0.80 NOS2 (0.53) NOS2KMT2AMEN1POLBNPC1
SCHEMBL17700570 0.80 KMT2A (0.54) NOS2KMT2AMEN1POLBNPC1
SCHEMBL17700752 0.78 NOS2 (0.54) NOS2KMT2AMEN1POLBNPC1
SCHEMBL17700790 0.77 CXCR4 (0.49) KMT2AMEN1POLBNPC1CYP1A2
SCHEMBL21337475 0.74 NOS2 (0.47) NOS2KMT2AMEN1POLBNPC1
SCHEMBL2130310 0.73 NOS2 (0.53) NOS2KMT2AMEN1POLBNPC1
SCHEMBL827847 0.73 NOS2 (0.61) NOS2KMT2AMEN1POLBNPC1
SCHEMBL8277611 0.71 SMN1; SMN2 (0.51) NOS2KMT2AMEN1POLBNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 NOS2 3315/4885KMT2A 1359/4885MEN1 1427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.